Study : PA1861 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ACP_A_4(4AYX) / Model_99(4AYX/A) = [4.0] Download1017.096.38MDGLRLRFRRAYPGFELDIDLALPGRGVTALFGHSGSGKSTCLRCIAGLEKAAEGEVTINGETWQDSRRNLFVAPHRRALGYVFQDANLFRHLTVRRNLAFGLKRIAAAERRVELEQACALLGIEHLLERMPERLSGGEQQRVGIARALLTSPRLLLMDEPLASLDLKRKGEILPYLERLHEELDIPVLYVSHSPDEVARLADHLVLLENGKVRASGPIGETLARVDLPLALDDDAGVVIEGTVSDHDPAYGLLTLVLPGSALQMRVAHAPLAPGKRLRFKVQARDVSLNLRDDAQSSILNRLPVRVLELVDTDTAAHVLVRLDAGGNPLLARITRYSRDQLQLRPGQLLWAQIKSVAVLA
Complex: ACP_A_4(4AYT) / Model_100(4AYT/A) = [4.6] Download1122.125.80MDGLRLRFRRAYPGFELDIDLALPGRGVTALFGHSGSGKSTCLRCIAGLEKAAEGEVTINGETWQDSRRNLFVAPHRRALGYVFQDANLFRHLTVRRNLAFGLKRIAAAERRVELEQACALLGIEHLLERMPERLSGGEQQRVGIARALLTSPRLLLMDEPLASLDLKRKGEILPYLERLHEELDIPVLYVSHSPDEVARLADHLVLLENGKVRASGPIGETLARVDLPLALDDDAGVVIEGTVSDHDPAYGLLTLVLPGSALQMRVAHAPLAPGKRLRFKVQARDVSLNLRDDAQSSILNRLPVRVLELVDTDTAAHVLVRLDAGGNPLLARITRYSRDQLQLRPGQLLWAQIKSVAVLA
Consensus
[pKd Mean = 4.30]
-1069
(s=52)
6
(s=0)
MDGLRLRFRRAYPGFELDIDLALPGRGVTALFGHSGSGKSTCLRCIAGLEKAAEGEVTINGETWQDSRRNLFVAPHRRALGYVFQDANLFRHLTVRRNLAFGLKRIAAAERRVELEQACALLGIEHLLERMPERLSGGEQQRVGIARALLTSPRLLLMDEPLASLDLKRKGEILPYLERLHEELDIPVLYVSHSPDEVARLADHLVLLENGKVRASGPIGETLARVDLPLALDDDAGVVIEGTVSDHDPAYGLLTLVLPGSALQMRVAHAPLAPGKRLRFKVQARDVSLNLRDDAQSSILNRLPVRVLELVDTDTAAHVLVRLDAGGNPLLARITRYSRDQLQLRPGQLLWAQIKSVAVLA